2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-chloranyl-imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-chloro-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-chloroimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-5-chloro-imidazole-4-carboxylic acid Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-2-3-8-18-24-20(23)19(22(28)29)25(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21(26)27/h4-7,9-12H,2-3,8,13H2,1H3,(H,26,27)(H,28,29)